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5-{[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3BhY359b7Mx
InChI InChI=1S/C16H12ClN3O3/c1-9-4-5-11(8-13(9)17)20-6-2-3-10(20)7-12-14(21)18-16(23)19-15(12)22/h2-8H,1H3,(H2,18,19,21,22,23)
InChIKey CGCFKTJYXARETF-UHFFFAOYSA-N
Mol Weight 329.74 g/mol
Molecular Formula C16H12ClN3O3
Exact Mass 329.056719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iu6oRfW5xyl
Name 5-{[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.056718955 u
Formula C16H12ClN3O3
InChI InChI=1S/C16H12ClN3O3/c1-9-4-5-11(8-13(9)17)20-6-2-3-10(20)7-12-14(21)18-16(23)19-15(12)22/h2-8H,1H3,(H2,18,19,21,22,23)
InChIKey CGCFKTJYXARETF-UHFFFAOYSA-N
Molecular Weight 329.743 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1042
Solvent DMSO-d6
Source Vendor ID: NMR/12269136